Benzoic acid, 4-((3-pyridinylcarbonyl)amino)-

Base Information

• Chemical Name: Benzoic acid, 4-((3-pyridinylcarbonyl)amino)-
• CAS No.: 5768-40-1
• Molecular Formula: C13H10N2O3
• Molecular Weight: 242.234
• DSSTox Substance ID: DTXSID40206382
• Wikidata: Q83080216

Synonyms:5768-40-1;Benzoic acid, 4-((3-pyridinylcarbonyl)amino)-;4-(pyridine-3-carbonylamino)benzoic acid;p-Nicotinamidobenzoic acid;4-[(pyridin-3-ylcarbonyl)amino]benzoic acid;p-Nicotinoylaminobenzoic acid;4-((PYRIDIN-3-YLCARBONYL)AMINO)BENZOIC ACID;4-nicotinoylaminobenzoic acid;Oprea1_501543;4-(Nicotinamido)benzoic acid;SCHEMBL7329481;DTXSID40206382;MFCD00439141;STK296790;AKOS000106276;4-[(3-Pyridinylcarbony)amino]benzoic acid;CS-0360184;Z239128462

Chemical Property of Benzoic acid, 4-((3-pyridinylcarbonyl)amino)-

Chemical Property:

• Vapor Pressure: 3.6E-06mmHg at 25°C
• Boiling Point: 371.3°C at 760 mmHg
• Flash Point: 178.3°C
• Density: 1.391g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.06914219
• Heavy Atom Count: 18
• Complexity: 311

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)C(=O)O

Technology Process of Benzoic acid, 4-((3-pyridinylcarbonyl)amino)-

There total 4 articles about Benzoic acid, 4-((3-pyridinylcarbonyl)amino)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 57.0%

3-pyridinecarbonyl chloride (10400-19-8) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-(nicotinamido)benzoic acid (5768-40-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; dichloromethane; at 20 ℃; Inert atmosphere; Reflux;

DOI:10.1039/c4ce00733f

Reference yield:

nicotinic acid (59-67-6) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-(nicotinamido)benzoic acid (5768-40-1)

Guidance literature:

With pyridine; thionyl chloride;

DOI:10.1021/jo01164a008 DOI:10.1021/ja01206a008

Reference yield:

N-(4-methylphenyl)-3-pyridinecarboxamide (24303-02-4) → 4-(nicotinamido)benzoic acid (5768-40-1)

Guidance literature:

With potassium permanganate; magnesium sulfate;

upstream raw materials:

nicotinic acid

4-amino-benzoic acid

N-(4-methylphenyl)-3-pyridinecarboxamide

3-pyridinecarbonyl chloride

Downstream raw materials:

4-[(pyridine-3-carbonyl)-amino]-benzoyl chloride

N-(4-nicotinoylamino-benzoyl)-D-glutamic acid

N-(4-carbamoylphenyl)nicotinamide

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